Crystallography Open Database

Information card for entry 4501755

Preview

Coordinates	4501755.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C31 H29 Ce N13 O16
Calculated formula	C31 H21 Ce N13 O16.77
Title of publication	Protonated Adenine and Cytosine Ribbons Stabilized by Dipicolinato Metal Frameworks
Authors of publication	Das, Babulal; Baruah, Jubaraj B.
Journal of publication	Crystal Growth & Design
Year of publication	2010
Journal volume	10
Journal issue	7
Pages of publication	3242
a	11.7732 ± 0.0006 Å
b	12.3819 ± 0.0006 Å
c	13.3803 ± 0.0007 Å
α	107.692 ± 0.002°
β	90.626 ± 0.003°
γ	97.04 ± 0.003°
Cell volume	1841.85 ± 0.16 Å³
Cell temperature	296 ± 2 K
Ambient diffraction temperature	296 ± 2 K
Number of distinct elements	5
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0926
Residual factor for significantly intense reflections	0.0658
Weighted residual factors for significantly intense reflections	0.2344
Weighted residual factors for all reflections included in the refinement	0.2472
Goodness-of-fit parameter for all reflections included in the refinement	1.02
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
179548 (current)	2016-03-24	cif/4/50/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/50/17.	4501755.cif
91935	2013-12-29	cod/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the rest of COD CIFs.	4501755.cif
36087	2012-03-01	../uploads/cif-deposit/cod/cif Adding structures of 4501755 via cif-deposit CGI script.	4501755.cif